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Ligand · 63F

63F · N-cyclopropyl-6-[(3R)-3-{[4-(trifluoromethoxy)benzyl]carbamoyl}-4-{[4-(trifluoromethoxy)phenyl]sulfonyl}piperazin-1-yl]pyridazine-3-carboxamide

63F, N-cyclopropyl-6-[(3R)-3-{[4-(trifluoromethoxy)benzyl]carbamoyl}-4-{[4-(trifluoromethoxy)phenyl]sulfonyl}piperazin-1-yl]pyridazine-3-carboxamide (C28 H26 F6 N6 O6 S, 688.6 g/mol), in the MolNFT structures on GenesisL1: bound in 4…

Component
63F
Formula
C28 H26 F6 N6 O6 S
Class
ligand
Structures
4
PDB entries
2

Binding sites

63F in 4 structures; the first of them:

  • 3QGG · Crystal structure of the hepatitis C virus NS5B RNA-dependent RNA polymerase complex with… · 63F A602 · binds VAL179, TYR191, GLY192, PHE193, TYR195, SER196, PRO197, ARG200 and 20 more
  • 3QGH · Crystal structure of the hepatitis C virus NS5B RNA-dependent RNA polymerase genotype 1a… · 63F A601 · binds VAL179, PRO183, TYR191, GLY192, PHE193, TYR195, SER196, PRO197 and 21 more
  • 3QGG · Crystal structure of the hepatitis C virus NS5B RNA-dependent RNA polymerase complex with… · 63F A602 · binds VAL179, TYR191, GLY192, PHE193, TYR195, SER196, PRO197, ARG200 and 20 more
  • 3QGH · Crystal structure of the hepatitis C virus NS5B RNA-dependent RNA polymerase genotype 1A… · 63F A601 · binds VAL179, PRO183, TYR191, GLY192, PHE193, TYR195, SER196, PRO197 and 21 more

Residues it binds most

TYR 6, ILE 6, SER 6, LEU 6, CYS 6, GLY 6, PHE 6, PRO 6, ALA 6, ARG 6 (residue and the binding sites it lines).

Found with

  • 23E · (2E)-3-(4-{[(1-{[(13-cyclohexyl-6-oxo-6,7-dihydro-5H-indolo[1,2-d][1,4]benzodiazepin-10-yl)carbonyl]amino}cyclopentyl)carbonyl]amino}phenyl)prop-2-enoic acid
  • PO4 · Phosphate ion
  • SO4 · Sulfate ion

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